1-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)-1-(p-tolylmethyl)pyrazolo[3,4-d]pyrimidine CAS Name: 1-[(4-methylphenyl)methyl]-4-(4-methyl-1-piperazin-4-iumyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Traditional Name: 1-(4-methylbenzyl)-4-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Formula: C18H23N6+ MolecularWeight: 323.41542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)N4CC[NH+](CC4)C

InChI

InChI=1S/C18H22N6/c1-14-3-5-15(6-4-14)12-24-18-16(11-21-24)17(19-13-20-18)23-9-7-22(2)8-10-23/h3-6,11,13H,7-10,12H2,1-2H3/p+1